Glycoside
GD017023
Name:
NoneFormula:
C18H23O9N4PSmiles:
Nc1ccn(C2O[C@H](COP(=O)(O)N[C@H](Cc3ccccc3)C(=O)O)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)NC(Cc1ccccc1)C(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 470.38 | Num_heavy_atoms: | 32 |
| TPSA: | 206.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD12193
Formula: C10H14O5NP
Smiles:
COP(=O)(O)NC(Cc1ccccc1)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 259.2 | Num_heavy_atoms: | 17 |
| TPSA: | 95.86 | NumAromaticRings: | 1 |
